3-(Bromomethyl)benzoic acid

C₈H₇BrO₂CAS 6515-58-8215.05 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₈H₇BrO₂
Molar mass: 215.05 g/mol
Exact mass: 213.9629 Da
logP: 2.28Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6515-58-8

SMILES

C1=CC(=CC(=C1)C(=O)O)CBr

InChIKey

FTPAHNNMUYOHOB-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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Work with 3-(Bromomethyl)benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Hydroxymethyl)-benzoic acid28286-79-567 % similar 3-Aminomethylbenzoic acid2393-20-665 % similar 3-(Chloromethyl)benzoic acid31719-77-465 % similar 4-(Bromomethyl)benzoic acid6232-88-863 % similar Isophthalic acid121-91-562 % similar 3-Benzoylbenzyl bromide22071-24-560 % similar 3-(Aminomethyl)benzoic acid hydrochloride876-03-959 % similar 3-Bromobenzoic acid585-76-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

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